UCSF

ZINC43358253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.49 7.93 -13.44 1 6 0 54 383.492 5
Mid Mid (pH 6-8) 2.49 10.16 -55.41 2 6 1 55 384.5 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )